CID 21251

5185-71-7

Structural Information

Molecular Formula
C10H14AsCl2NO3
SMILES
C1=CC(=CC=C1N(CCCl)CCCl)[As](=O)(O)O
InChI
InChI=1S/C10H14AsCl2NO3/c12-5-7-14(8-6-13)10-3-1-9(2-4-10)11(15,16)17/h1-4H,5-8H2,(H2,15,16,17)
InChIKey
RXMOZLCWMOBJCM-UHFFFAOYSA-N
Compound name
[4-[bis(2-chloroethyl)amino]phenyl]arsonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

340.95667 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.96395 167.0
[M+Na]+ 363.94589 178.0
[M+NH4]+ 358.99049 173.6
[M+K]+ 379.91983 171.8
[M-H]- 339.94939 167.1
[M+Na-2H]- 361.93134 171.4
[M]+ 340.95612 169.0
[M]- 340.95722 169.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.